2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene

C12H13BrCl2 — CID 63472924

IUPAC2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1CC1CCCC1Br
InChIInChI=1S/C12H13BrCl2/c13-10-4-1-3-8(10)7-9-11(14)5-2-6-12(9)15/h2,5-6,8,10H,1,3-4,7H2
InChIKeyOIBZLIZBQFZVIY-UHFFFAOYSA-N
MW308.05 g/mol
LogP5.10
Rot. Bonds2

About 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene

2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene (PubChem CID 63472924) has the molecular formula C12H13BrCl2 and a molecular weight of 308.05 g/mol. Its IUPAC name is 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene
PubChem CID63472924
Molecular FormulaC12H13BrCl2
Molecular Weight308.05 g/mol
Exact Mass305.96
IUPAC Name2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1CC1CCCC1Br
InChIInChI=1S/C12H13BrCl2/c13-10-4-1-3-8(10)7-9-11(14)5-2-6-12(9)15/h2,5-6,8,10H,1,3-4,7H2
InChIKeyOIBZLIZBQFZVIY-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.05
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene (CID 63472924) is 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene is Clc1cccc(Cl)c1CC1CCCC1Br.
What is the InChIKey of 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene?
The InChIKey is OIBZLIZBQFZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrCl2/c13-10-4-1-3-8(10)7-9-11(14)5-2-6-12(9)15/h2,5-6,8,10H,1,3-4,7H2.
What are the key properties of 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene?
2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene has a molecular weight of 308.05 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene is sourced from PubChem (CID 63472924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).